SCHEMBL4292950

SCHEMBL4292950

O=C(O)N1CCN(C(=O)c2ncn([C@H]3CCCC[C@]3(O)COCCOCCO)c2-c2ccccc2)[C@H](Cc2ccccc2)C1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA1 P00915 14/20 0.33
CA2 P00918 14/20 0.33
CA4 P22748 14/20 0.33
CA9 Q16790 14/20 0.33
SCD5 Q86SK9 1/20 0.32
ABHD6 Q9BV23 1/20 0.32
DAGLA Q9Y4D2 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4285579 0.95 CA1 (0.34) CA1CA2CA4CA9SCD5
SCHEMBL4291453 0.93 CA1 (0.34) CA1CA2CA4CA9SCD5
SCHEMBL4285235 0.92 CA1 (0.34) CA1CA2CA4CA9SCD5
SCHEMBL13705247 0.92 ABHD6 (0.40) CA1CA2CA4CA9ABHD6
SCHEMBL4292763 0.91 CA1 (0.33) CA1CA2CA4CA9SCD5
SCHEMBL4290244 0.91 CA1 (0.35) CA1CA2CA4CA9SCD5
SCHEMBL4282229 0.90 CA1 (0.33) CA1CA2CA4CA9SCD5
SCHEMBL4286206 0.90 CA1 (0.34) CA1CA2CA4CA9SCD5
SCHEMBL4287250 0.90 CA1 (0.36) CA1CA2CA4CA9
SCHEMBL4288234 0.90 CA1 (0.33) CA1CA2CA4CA9SCD5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT CA1 2275/4885CA2 218/4885CA4 296/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT CA1 2275/4885CA2 218/4885CA4 296/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.